CID 3053118

69552-04-1

Structural Information

Molecular Formula
C17H25NO4
SMILES
CCC(=O)OC1(CCN(C1C)CC(CO)O)C2=CC=CC=C2
InChI
InChI=1S/C17H25NO4/c1-3-16(21)22-17(14-7-5-4-6-8-14)9-10-18(13(17)2)11-15(20)12-19/h4-8,13,15,19-20H,3,9-12H2,1-2H3
InChIKey
PSFHWPACFHCLSV-UHFFFAOYSA-N
Compound name
[1-(2,3-dihydroxypropyl)-2-methyl-3-phenylpyrrolidin-3-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.17834 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.185616 174.1
[M+Na]+ 330.167558 178.6
[M-H]- 306.171064 176.2
[M+NH4]+ 325.212163 189.7
[M+K]+ 346.141498 175.8
[M+H-H2O]+ 290.175600 167.4
[M+HCOO]- 352.176541 190.1
[M+CH3COO]- 366.192191 199.5
[M+Na-2H]- 328.153006 172.9
[M]+ 307.17779142 173.8
[M]- 307.17888858 173.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.